US 2020/0096461 A1 · METHOD FOR IDENTIFYING MOLECULAR STRUCTURE

Abstract

The present invention provides a novel method for identifying a molecular structure by single crystal X-ray analysis. A single crystal that gives an X-ray diffraction spectrum sufficient for determining the structure of the molecule can be efficiently obtained by including a test molecule in a metal complex and then crystallizing the test-molecule-including metal complex. By analyzing this single crystal by X-ray analysis, it is possible to determine the structure of the test molecule without obtaining a single crystal of the test molecule. With the method according to the present invention, the structure of a test molecule in a trace amount of sample can also be determined.

Claims22

Dependent claims

A method for structural analysis of a test molecule with an X-ray or a neutron beam, the method comprising the steps of:

(A) mixing together a sample containing the test molecule and a metal complex capable of including the test molecule to generate a test molecule-metal complex inclusion body;
(B) dispensing an inclusion solution containing the inclusion body to prepare a plurality of independent crystallization solutions at least including a first crystallization solution and a second crystallization solution;
(C) generating a plurality of crystals in the plurality of independent crystallization solutions under similar or different crystallization conditions;
(D) screening the plurality of crystals generated in the step (C) to select a targeted crystal;
(E) irradiating the targeted crystal with an X-ray or a neutron beam to acquire diffraction data;
and
(F) analyzing the diffraction data to determine the structure of the test molecule.

4 more elements

Dependencies are inferred from the claim text.

Method for identifying molecular structure

Life of this patent

Method for identifying molecular structure

Life of this patent

Abstract

Claims22